Geometry & MOs

Info

ID:	183243
PubChem CID:	76997965
Reduced:	BrO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	267.11384
ΔH_f, kcal/mol:	-110.51
Dipole, Da:	5.96
IP(EA), eV:	-9.59(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-[(4-chlorophenyl)methyl]-5-ethyl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CCCC(C)COC1=C(C=CC=C1Br)C=CC(=O)O

DOS

IR

Vibrations